MetaADEDB 2.0 @ LMMD
citral
(WTEVQBCEXWBHNA-JXMROGBWSA-N)
Structure
SMILES
O=C/C=C(/CCC=C(C)C)\C
Molecular Formula:
C10H16O
Molecular Weight:
152.233
Log P:
2.8780
Hydrogen Bond Acceptor:
1
Hydrogen Bond Donor:
0
TPSA:
17.07
CAS Number(s):
141-27-5; 5392-40-5; 147060-73-9
Synonym(s)
1.
citral
2.
(E)-citral
3.
(Z)-citral
4.
citral A
5.
citral B
6.
geranial
7.
neral
External Link(s)
MeSHC007076
PubChem Compound638011
ChEBI16980
137934
CHEMBLCHEMBL1080997
IUPHAR/BPS Guide to PHARMACOLOGY6327
KEGGcpd:C01499
cpd:C15604
Therapeutic Target DatabaseD00VWN
ZINC1529208
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Dermatitis, Allergic Contact22245253
26795242
CTD
2Hypersensitivity18824010CTD
3Poisoning27607409CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120265

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.